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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50342509'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50342509
PNG
(7-(3-(4-(3-Fluoropropoxy)phenyl)propyl)-2-(furan-2...)
Show SMILES Nc1nc2n(CCCc3ccc(OCCCF)cc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H22FN7O2/c23-10-3-13-31-16-8-6-15(7-9-16)4-1-11-29-20-17(14-25-29)21-26-19(18-5-2-12-32-18)28-30(21)22(24)27-20/h2,5-9,12,14H,1,3-4,10-11,13H2,(H2,24,27)
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Similars
Article
PubMed
 1.32E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma scintillation counting

Bioorg Med Chem Lett 21: 2740-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.082
BindingDB Entry DOI: 10.7270/Q2RV0P0B
More data for this
Ligand-Target Pair